| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:55 UTC |
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| Update Date | 2025-03-21 18:33:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095381 |
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| Frequency | 29.1 |
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| Structure | |
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| Chemical Formula | C6H6O5 |
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| Molecular Mass | 158.0215 |
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| SMILES | O=C(O)CC1CC(=O)C(=O)O1 |
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| InChI Key | MJGWFSBPACOYEL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | dihydrofurans |
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| Subclass | furanones |
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| Direct Parent | furanones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carboxylic acid esterscarboxylic acidscyclic ketonesdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidtetrahydrofurancyclic ketonecarboxylic acid derivativegamma butyrolactoneketonelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivative3-furanoneorganooxygen compound |
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